Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9965798 | 0.94 | CYP3A4 (0.48) | CYP3A4HTR2AHTR2CDYRK1AGAA | |
| SCHEMBL4345910 | 0.91 | CYP3A4 (0.43) | CYP3A4HTR2CGAAMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4342417 | 0.89 | CYP3A4 (0.44) | CYP3A4MAPK1ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL3174494 | 0.88 | CYP3A4 (0.43) | CYP3A4GAAMAPK1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4342409 | 0.87 | CYP3A4 (0.42) | CYP3A4HTR2C | |
| Hydrochloric Acid SCHEMBL4358470 | 0.87 | CYP3A4 (0.42) | CYP3A4GAAMAPK1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4347973 | 0.87 | CYP3A4 (0.42) | CYP3A4HTR2CMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4354373 | 0.84 | CYP3A4 (0.46) | CYP3A4GAAMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4346239 | 0.84 | CYP3A4 (0.46) | CYP3A4GAAMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4351902 | 0.84 | CYP3A4 (0.51) | CYP3A4KDM4EMAPK1ALDH1A1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496053-B1 | Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO LTD (JP) | 2012-06-20 | — | — | EP | disclosed |
| EP-1496053-B1 | Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO LTD (JP) | 2012-06-20 | — | — | EP | disclosed |
| EP-2042173-A2 | Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-04-01 | — | — | EP | disclosed |
| EP-2042173-A2 | Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-04-01 | — | — | EP | disclosed |
| US-7410987-B2 | Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2008-08-12 | — | — | US | disclosed |
| US-7410987-B2 | Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2008-08-12 | — | — | US | disclosed |